UCSF

ZINC05202427

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.48 10.03 -8.7 0 2 0 20 287.428 1
Mid Mid (pH 6-8) 4.48 10 -28.19 1 2 1 22 288.436 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )